SCHEMBL30839883

SCHEMBL30839883

N#Cc1ccc(N)cc1C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 2/20 0.69
USP2 O75604 1/20 0.69
LMNA P02545 2/20 0.53
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 9/20 0.42
MAOA P21397 8/20 0.42
MDM4 O15151 1/20 0.42
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL204121 1.00 KDM4E (0.69) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30362235 0.86 KDM4E (0.60) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30362332 0.86 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL31184679 0.83 KDM4E (1.00) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL3817177 0.83 KDM4E (1.00) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2028221 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2638947 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL615129 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30799696 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL29802150 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836293-A Tertiary amine derivative and organic electroluminescent device comprising same 株式会社乐普拓 2024-04-05 CN disclosed